1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | 8005-3802 |
| Compound Name: | 1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 260.25 |
| Molecular Formula: | C12 H12 N4 O3 |
| Smiles: | Cc1cccc(c1)NC(c1c(cnn1C)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8181 |
| logD: | 1.8037 |
| logSw: | -2.2103 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.926 |
| InChI Key: | CMYXOHQJLIMWCX-UHFFFAOYSA-N |